Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C32H31ClN6O3.2C4H4O4 |
| Molecular Weight | 815.224 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 3 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CCOC1=C(NC(=O)\C=C\[C@H]2CCCN2C)C=C3C(=C1)N=CC(C#N)=C3NC4=CC=C(OCC5=NC=CC=C5)C(Cl)=C4
InChI
InChIKey=KLHFGQSCVQPTIN-XUZAKNADSA-N
InChI=1S/C32H31ClN6O3.2C4H4O4/c1-3-41-30-17-27-25(16-28(30)38-31(40)12-10-24-8-6-14-39(24)2)32(21(18-34)19-36-27)37-22-9-11-29(26(33)15-22)42-20-23-7-4-5-13-35-23;2*5-3(6)1-2-4(7)8/h4-5,7,9-13,15-17,19,24H,3,6,8,14,20H2,1-2H3,(H,36,37)(H,38,40);2*1-2H,(H,5,6)(H,7,8)/b12-10+;2*2-1-/t24-;;/m1../s1
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C32H31ClN6O3 |
| Molecular Weight | 583.08 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
Cmax
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
32.3 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28115222/ |
1.3 mg/kg single, oral dose: 1.3 mg/kg route of administration: Oral experiment type: SINGLE co-administered: |
PYROTINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED |
AUC
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
510 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28115222/ |
1.3 mg/kg single, oral dose: 1.3 mg/kg route of administration: Oral experiment type: SINGLE co-administered: |
PYROTINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED |
T1/2
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
15 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28115222/ |
1.3 mg/kg single, oral dose: 1.3 mg/kg route of administration: Oral experiment type: SINGLE co-administered: |
PYROTINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED |
Funbound
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
0.75% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/28115222/ |
1.3 mg/kg single, oral dose: 1.3 mg/kg route of administration: Oral experiment type: SINGLE co-administered: |
PYROTINIB plasma | Homo sapiens population: HEALTHY age: ADULT sex: UNKNOWN food status: FASTED |
| Substance Class |
Chemical
Created
by
admin
on
Edited
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by
admin
on
Mon Mar 31 23:35:29 GMT 2025
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| Record UNII |
85KUE857XM
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| Record Status |
Validated (UNII)
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| Record Version |
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100000181485
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